2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide

C22H24F2N2O2 — CID 70704573

IUPAC2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide
SMILESCO[C@H]1[C@H](NC(=O)c2c(F)ccc(C)c2F)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H24F2N2O2/c1-13-7-8-16(23)17(18(13)24)21(27)26-19-14-5-3-4-6-15(14)22(20(19)28-2)9-11-25-12-10-22/h3-8,19-20,25H,9-12H2,1-2H3,(H,26,27)/t19-,20+/m1/s1
InChIKeyICAGJAXWCAHEOS-UXHICEINSA-N
MW386.44 g/mol
LogP3.39
Rot. Bonds3

About 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide

2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide (PubChem CID 70704573) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide
PubChem CID70704573
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide
SMILESCO[C@H]1[C@H](NC(=O)c2c(F)ccc(C)c2F)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H24F2N2O2/c1-13-7-8-16(23)17(18(13)24)21(27)26-19-14-5-3-4-6-15(14)22(20(19)28-2)9-11-25-12-10-22/h3-8,19-20,25H,9-12H2,1-2H3,(H,26,27)/t19-,20+/m1/s1
InChIKeyICAGJAXWCAHEOS-UXHICEINSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide (CID 70704573) is 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide is CO[C@H]1[C@H](NC(=O)c2c(F)ccc(C)c2F)c2ccccc2C12CCNCC2.
What is the InChIKey of 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide?
The InChIKey is ICAGJAXWCAHEOS-UXHICEINSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-13-7-8-16(23)17(18(13)24)21(27)26-19-14-5-3-4-6-15(14)22(20(19)28-2)9-11-25-12-10-22/h3-8,19-20,25H,9-12H2,1-2H3,(H,26,27)/t19-,20+/m1/s1.
What are the key properties of 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide?
2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide has a molecular weight of 386.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbenzamide is sourced from PubChem (CID 70704573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).